La(BC3)4
Alexandria ALEXAlex-ID: agm071336743 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_286_spg141
La(BC)2 LaB6 C
2024-08-05 11:15:26.433378
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071336743).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm071336743
data_agm071336743
_cell_length_a 9.98145
_cell_length_b 9.98145
_cell_length_c 9.98145
_cell_angle_alpha 149.50555
_cell_angle_beta 149.50555
_cell_angle_gamma 43.66769
_cell_volume 255.37233
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La1 La 0.00000 0.00000 0.00000 1.00000
La2 La 0.75000 0.25000 0.50000 1.00000
B1 B 0.37500 0.82719 0.95219 1.00000
B2 B 0.37500 0.42281 0.54781 1.00000
B3 B 0.87500 0.42281 0.04781 1.00000
B4 B 0.87500 0.82719 0.45219 1.00000
B5 B 0.17281 0.62500 0.04781 1.00000
B6 B 0.57719 0.62500 0.45219 1.00000
B7 B 0.57719 0.12500 0.95219 1.00000
B8 B 0.17281 0.12500 0.54781 1.00000
C1 C 0.50357 0.71654 0.21297 1.00000
C2 C 0.24643 0.53346 0.28703 1.00000
C3 C 0.50357 0.29061 0.78703 1.00000
C4 C 0.24643 0.95939 0.71297 1.00000
C5 C 0.04061 0.75357 0.28703 1.00000
C6 C 0.70939 0.49643 0.21297 1.00000
C7 C 0.46654 0.75357 0.71297 1.00000
C8 C 0.28346 0.49643 0.78703 1.00000
C9 C 0.43670 0.79946 0.36276 1.00000
C10 C 0.31330 0.45054 0.13724 1.00000
C11 C 0.43670 0.07394 0.63724 1.00000
C12 C 0.31330 0.17606 0.86276 1.00000
C13 C 0.82394 0.68670 0.13724 1.00000
C14 C 0.92606 0.56330 0.36276 1.00000
C15 C 0.54946 0.68670 0.86276 1.00000
C16 C 0.20054 0.56330 0.63724 1.00000
C17 C 0.58059 0.92684 0.34625 1.00000
C18 C 0.16941 0.32316 0.15375 1.00000
C19 C 0.58059 0.23434 0.65375 1.00000
C20 C 0.16941 0.01566 0.84625 1.00000
C21 C 0.98434 0.83059 0.15375 1.00000
C22 C 0.76566 0.41941 0.34625 1.00000
C23 C 0.67684 0.83059 0.84625 1.00000
C24 C 0.07316 0.41941 0.65375 1.00000
